3-Chloro-4-dimethylaminothioangelicin
[CAS# 90236-91-2]

Identification

• Name: 3-Chloro-4-dimethylaminothioangelicin
• Synonyms: 3-Chloro-4-Dimethylamino-Thieno[2,3-H]Chromen-2-One; 3-Chloro-4-Dimethylamino-2-Thieno[2,3-H]Chromenone; 2H-Thieno(2,3-H)-1-Benzopyran-2-One, 3-Chloro-4-(Dimethylamino)-
• Molecular Formula: C₁₃H₁₀ClNO₂S
• Molecular Weight: 279.74
• CAS Registry Number: 90236-91-2
• SMILES: C1=C3C(=C2C(=C1)C(=C(C(O2)=O)Cl)N(C)C)C=CS3
• InChI: 1S/C13H10ClNO2S/c1-15(2)11-8-3-4-9-7(5-6-18-9)12(8)17-13(16)10(11)14/h3-6H,1-2H3
• InChIKey: QTXQUPXOGACDSE-UHFFFAOYSA-N

Properties

• Density: 1.463g/cm³ (Cal.)
• Boiling point: 434.035°C at 760 mmHg (Cal.)
• Flash point: 216.297°C (Cal.)